2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol

C24H31N7O — CID 45100666

IUPAC2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1c(Cc2ccccn2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C24H31N7O/c1-16-15-30(10-11-31(16)22-14-26-21(13-27-22)24(4,5)32)23-18(3)17(2)20(28-29-23)12-19-8-6-7-9-25-19/h6-9,13-14,16,32H,10-12,15H2,1-5H3/t16-/m1/s1
InChIKeyGQWJKCWJQXXCSQ-MRXNPFEDSA-N
MW433.56 g/mol
LogP2.81
Rot. Bonds5

About 2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol

2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (PubChem CID 45100666) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
PubChem CID45100666
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1c(Cc2ccccn2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C24H31N7O/c1-16-15-30(10-11-31(16)22-14-26-21(13-27-22)24(4,5)32)23-18(3)17(2)20(28-29-23)12-19-8-6-7-9-25-19/h6-9,13-14,16,32H,10-12,15H2,1-5H3/t16-/m1/s1
InChIKeyGQWJKCWJQXXCSQ-MRXNPFEDSA-N
XLogP2.81
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (CID 45100666) is 2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is Cc1c(Cc2ccccn2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C.
What is the InChIKey of 2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The InChIKey is GQWJKCWJQXXCSQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H31N7O/c1-16-15-30(10-11-31(16)22-14-26-21(13-27-22)24(4,5)32)23-18(3)17(2)20(28-29-23)12-19-8-6-7-9-25-19/h6-9,13-14,16,32H,10-12,15H2,1-5H3/t16-/m1/s1.
What are the key properties of 2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol has a molecular weight of 433.56 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 45100666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).